methyl 2-ethanoyl-4-(2-nitrophenyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-ethanoyl-4-(2-nitrophenyl)-3-oxidanylidene-butanoate Openeye Name: methyl 2-acetyl-4-(2-nitrophenyl)-3-oxo-butanoate CAS Name: 2-acetyl-4-(2-nitrophenyl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetyl-4-(2-nitrophenyl)-3-oxobutanoate Traditional Name: 2-acetyl-3-keto-4-(2-nitrophenyl)butyric acid methyl ester Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)C(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H13NO6/c1-8(15)12(13(17)20-2)11(16)7-9-5-3-4-6-10(9)14(18)19/h3-6,12H,7H2,1-2H3